N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C19H26F3N3O2 — CID 112829771

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CC1=O
InChIInChI=1S/C19H26F3N3O2/c1-5-14(6-2)25-11-12(9-17(25)26)18(27)23-15-10-13(19(20,21)22)7-8-16(15)24(3)4/h7-8,10,12,14H,5-6,9,11H2,1-4H3,(H,23,27)
InChIKeyCTRPHFVYIQDSHS-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 112829771) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID112829771
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CC1=O
InChIInChI=1S/C19H26F3N3O2/c1-5-14(6-2)25-11-12(9-17(25)26)18(27)23-15-10-13(19(20,21)22)7-8-16(15)24(3)4/h7-8,10,12,14H,5-6,9,11H2,1-4H3,(H,23,27)
InChIKeyCTRPHFVYIQDSHS-UHFFFAOYSA-N
XLogP3.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55522102
N-(3,4-dimethylphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826759
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015166
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1102170
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 51152144
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9364923
1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
CID 110890918
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119419403
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18155853

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 112829771) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CC1=O.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is CTRPHFVYIQDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-5-14(6-2)25-11-12(9-17(25)26)18(27)23-15-10-13(19(20,21)22)7-8-16(15)24(3)4/h7-8,10,12,14H,5-6,9,11H2,1-4H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112829771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).